6NFN
Fab fragment of anti-cocaine antibody h2E2 bound to benzoylecgonine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.049, 85.836, 164.397 |
| Unit cell angles | 82.93, 81.77, 71.28 |
Refinement procedure
| Resolution | 38.670 - 2.630 |
| R-factor | 0.1881 |
| Rwork | 0.185 |
| R-free | 0.24420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3t2n |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.720 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.680 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.119 | 0.805 |
| Rmeas | 0.140 | 0.970 |
| Rpim | 0.074 | 0.537 |
| Number of reflections | 104134 | 5217 |
| <I/σ(I)> | 13.9 | 1.61 |
| Completeness [%] | 99.0 | 98.5 |
| Redundancy | 3.5 | 3.1 |
| CC(1/2) | 0.983 | 0.572 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | G10 of PEG/Ion HT (2% Tascimate pH 7.0, 0.1 M HEPES pH 7.5, 20% PEG3350) |
